phenyl (2Z)-2-(2,2-dinitroethylidene)-3-methyl-nonanoate

Systemtic Name: phenyl (2Z)-2-(2,2-dinitroethylidene)-3-methyl-nonanoate Openeye Name: phenyl (2Z)-2-(2,2-dinitroethylidene)-3-methyl-nonanoate CAS Name: (2Z)-2-(2,2-dinitroethylidene)-3-methylnonanoic acid phenyl ester IUPAC Name: phenyl (2Z)-2-(2,2-dinitroethylidene)-3-methylnonanoate Traditional Name: (Z)-2-(1-methylheptyl)-4,4-dinitro-but-2-enoic acid phenyl ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=CC([N+](=O)[O-])[N+](=O)[O-])C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)/C(=C/C([N+](=O)[O-])[N+](=O)[O-])/C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C18H24N2O6/c1-3-4-5-7-10-14(2)16(13-17(19(22)23)20(24)25)18(21)26-15-11-8-6-9-12-15/h6,8-9,11-14,17H,3-5,7,10H2,1-2H3/b16-13-